Compound Identification
SMILES
NC1=NC2=C(S1)C=C(OS(=O)(=O)C1=CC=CC=C1)C=C2
InChIKey
InChIKey=IENWWEQWDWFQKN-UHFFFAOYSA-N
Formula
C13H10N2O3S2
Mass
306.35
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzenesulfonic acids and derivatives
- Level 5 Benzenesulfonate esters
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Subclass
Benzenesulfonic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzenesulfonate esters
Alternative Parents
Benzothiazoles Benzenesulfonyl compounds Arylsulfonic acids and derivatives Organosulfonic acid esters 2-amino-1,3-thiazoles Sulfonyls Heteroaromatic compounds Azacyclic compounds Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzenesulfonate ester - Arylsulfonic acid or derivatives - 1,3-benzothiazole - Benzenesulfonyl group - 1,3-thiazol-2-amine - Organosulfonic acid ester - Azole - Organic sulfonic acid or derivatives - Heteroaromatic compound - Thiazole - Sulfonyl - Organosulfonic acid or derivatives - Azacycle - Organoheterocyclic compound - Amine - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzenesulfonate esters. These are arenesulfonate esters that result from the formal condensation of the hydroxy group of an alcohol, enol, phenol or heteroarenol with benzenesulfonic acid.
External Descriptors
Not available